==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-FEB-13 4JG3 . COMPND 2 MOLECULE: CATABOLITE REPRESSION CONTROL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR I.GRISHKOVSKAYA,T.MILOJEVIC,E.SONNLEITNER,U.BLAESI,K.DJINOVI . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 114 0, 0.0 257,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.1 -39.6 54.7 3.0 2 2 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 257,-0.2 -0.158 360.0 164.3 -65.3 135.2 -40.8 51.5 4.8 3 3 A A + 0 0 60 254,-0.2 257,-0.4 257,-0.1 2,-0.3 -0.987 13.5 172.2-149.8 138.6 -38.1 48.8 5.4 4 4 A M E -A 256 0A 3 252,-2.4 252,-2.8 -2,-0.3 2,-0.4 -0.989 14.0-156.2-143.7 141.3 -37.7 45.7 7.6 5 5 A R E -A 255 0A 69 -2,-0.3 27,-2.3 250,-0.2 28,-1.4 -0.976 9.3-173.0-120.6 135.9 -35.1 43.0 7.7 6 6 A I E -Ab 254 33A 0 248,-2.7 248,-2.9 -2,-0.4 2,-0.5 -0.997 3.5-166.0-134.0 124.4 -35.7 39.5 9.0 7 7 A I E -Ab 253 34A 0 26,-2.1 28,-2.9 -2,-0.4 2,-0.5 -0.958 1.4-168.0-117.7 137.7 -33.0 37.0 9.4 8 8 A S E +Ab 252 35A 1 244,-3.1 244,-2.7 -2,-0.5 2,-0.3 -0.967 8.9 172.9-129.3 130.8 -33.6 33.4 10.0 9 9 A V E - b 0 36A 1 26,-2.7 28,-2.1 -2,-0.5 2,-0.7 -0.980 28.0-149.4-139.8 125.4 -31.0 30.8 11.1 10 10 A N E - b 0 37A 0 -2,-0.3 239,-0.5 240,-0.3 28,-0.2 -0.858 23.0-172.2 -83.4 115.2 -31.1 27.1 12.1 11 11 A V - 0 0 1 26,-2.6 6,-0.2 -2,-0.7 27,-0.2 0.480 23.6-138.7 -98.8 -8.6 -28.1 27.0 14.5 12 12 A N S S- 0 0 22 25,-0.5 27,-0.2 235,-0.1 26,-0.1 0.885 89.8 -2.6 51.2 48.9 -27.8 23.3 15.2 13 13 A G S > S- 0 0 8 25,-2.9 4,-2.4 24,-0.3 27,-0.2 0.541 72.8-136.4 97.5 109.2 -27.1 24.3 18.8 14 14 A I H > S+ 0 0 2 25,-2.4 4,-2.5 2,-0.2 5,-0.2 0.785 104.9 51.8 -69.9 -28.3 -26.9 27.8 19.8 15 15 A Q H > S+ 0 0 80 24,-0.6 4,-2.6 2,-0.2 5,-0.2 0.986 111.7 47.4 -72.3 -46.6 -23.8 27.3 22.0 16 16 A A H > S+ 0 0 51 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.861 116.8 45.1 -55.7 -39.7 -21.9 25.5 19.1 17 17 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 3,-0.7 0.914 110.4 51.2 -73.4 -43.8 -23.0 28.2 16.8 18 18 A A H ><5S+ 0 0 20 -4,-2.5 3,-2.1 1,-0.3 6,-0.2 0.893 104.8 57.7 -58.7 -42.4 -22.1 31.1 19.1 19 19 A E H 3<5S+ 0 0 147 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.771 104.3 56.2 -58.4 -24.9 -18.6 29.5 19.6 20 20 A R T <<5S- 0 0 145 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.354 130.3 -92.8 -90.0 4.4 -18.3 29.9 15.8 21 21 A G T <>5S+ 0 0 25 -3,-2.1 4,-2.1 225,-0.1 3,-0.4 0.456 79.6 138.3 105.0 4.8 -19.0 33.6 15.8 22 22 A L H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 110.9 45.2 -68.5 -37.9 -23.6 36.3 17.7 24 24 A S H > S+ 0 0 90 -3,-0.4 4,-0.9 -6,-0.2 -1,-0.2 0.921 114.7 51.2 -74.5 -32.6 -21.0 39.0 16.6 25 25 A W H >< S+ 0 0 42 -4,-2.1 3,-1.3 1,-0.2 4,-0.2 0.983 111.8 47.3 -63.4 -47.2 -22.0 38.3 12.9 26 26 A L H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 5,-0.5 0.896 103.8 61.6 -59.9 -42.5 -25.8 38.8 13.8 27 27 A Q H 3< S+ 0 0 73 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.795 106.9 46.4 -52.4 -30.4 -25.0 42.0 15.8 28 28 A A T << S+ 0 0 75 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.364 88.8 85.4 -93.6 5.0 -23.7 43.5 12.6 29 29 A Q S < S- 0 0 42 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 0.536 87.8-128.9 -93.4 -4.0 -26.5 42.5 10.2 30 30 A N + 0 0 96 -3,-0.4 2,-0.2 -4,-0.3 -25,-0.2 0.786 47.3 169.1 60.3 32.0 -28.9 45.4 10.8 31 31 A A - 0 0 0 -5,-0.5 -1,-0.2 1,-0.1 -25,-0.2 -0.474 37.0-158.9 -74.7 140.3 -31.9 43.0 11.4 32 32 A D S S+ 0 0 39 -27,-2.3 44,-2.0 1,-0.3 45,-0.4 0.825 86.0 13.7 -78.6 -36.3 -35.2 44.1 12.9 33 33 A V E -bC 6 75A 0 -28,-1.4 -26,-2.1 42,-0.2 2,-0.4 -0.990 65.7-162.4-142.6 137.4 -36.0 40.5 13.9 34 34 A I E -bC 7 74A 0 40,-2.6 40,-2.7 -2,-0.3 2,-0.5 -0.994 5.9-164.1-121.4 131.2 -33.9 37.5 14.1 35 35 A C E -bC 8 73A 0 -28,-2.9 -26,-2.7 -2,-0.4 2,-0.4 -0.926 6.5-171.8-118.4 120.7 -35.3 34.0 14.3 36 36 A L E -bC 9 72A 0 36,-3.2 36,-2.1 -2,-0.5 2,-0.3 -0.915 1.6-165.8-110.5 146.6 -33.3 31.1 15.4 37 37 A Q E +bC 10 71A 0 -28,-2.1 -26,-2.6 -2,-0.4 -25,-0.5 -0.926 64.2 24.2-124.4 158.1 -34.2 27.4 15.3 38 38 A D + 0 0 12 32,-1.6 -25,-2.9 -2,-0.3 33,-0.2 0.950 62.1 161.9 62.7 49.2 -32.7 24.2 16.9 39 39 A T - 0 0 4 31,-1.7 -25,-2.4 -26,-0.2 -24,-0.6 0.796 31.5-153.1 -68.8 -29.5 -31.0 26.1 19.8 40 40 A R + 0 0 112 29,-2.3 2,-0.3 26,-0.3 30,-0.2 0.732 52.7 126.6 59.6 25.2 -30.7 22.8 21.8 41 41 A A - 0 0 8 28,-0.2 22,-0.3 25,-0.2 -1,-0.2 -0.908 57.1-133.3-117.2 148.3 -30.8 25.0 24.9 42 42 A S > - 0 0 24 -2,-0.3 4,-1.7 20,-0.1 5,-0.2 -0.321 36.6-102.8 -85.6 168.5 -33.0 25.0 28.0 43 43 A A T 4 S+ 0 0 64 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.913 126.7 48.6 -57.0 -43.2 -34.6 28.2 29.4 44 44 A F T >4 S+ 0 0 161 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.940 108.1 53.8 -61.8 -43.8 -31.9 28.3 32.1 45 45 A D G >4 S+ 0 0 69 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.812 106.8 52.8 -60.9 -32.8 -29.1 27.8 29.4 46 46 A L G 3< S+ 0 0 15 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.484 89.6 76.5 -85.5 -2.4 -30.4 30.8 27.5 47 47 A D G < + 0 0 123 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.548 66.8 115.9 -78.5 -7.5 -30.2 32.8 30.6 48 48 A D S X S- 0 0 58 -3,-1.1 3,-2.2 -4,-0.2 4,-0.3 -0.475 70.2-136.1 -65.5 124.8 -26.4 33.0 29.9 49 49 A P G > S+ 0 0 108 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.717 97.0 73.6 -68.3 -15.8 -25.7 36.7 29.3 50 50 A S G 3 S+ 0 0 63 1,-0.2 -2,-0.1 3,-0.0 -27,-0.1 0.546 87.9 63.3 -73.2 -5.9 -23.4 36.0 26.3 51 51 A F G < S+ 0 0 5 -3,-2.2 -1,-0.2 -5,-0.1 2,-0.1 0.628 83.0 100.3 -87.6 -10.7 -26.6 35.1 24.2 52 52 A Q < - 0 0 95 -3,-1.3 2,-0.4 -4,-0.3 5,-0.1 -0.342 62.1-150.2 -75.2 150.0 -28.0 38.6 24.5 53 53 A L > - 0 0 7 3,-0.4 3,-1.8 -2,-0.1 2,-0.2 -0.979 25.0-110.6-121.0 134.3 -27.6 41.0 21.6 54 54 A D T 3 S+ 0 0 130 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.485 104.6 20.3 -68.2 140.5 -27.3 44.7 22.2 55 55 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.292 109.8 99.8 87.6 -4.5 -30.4 46.6 21.0 56 56 A Y < - 0 0 20 -3,-1.8 -3,-0.4 18,-0.0 2,-0.3 -0.932 63.3-141.1-123.3 137.3 -32.5 43.4 21.0 57 57 A F E -D 75 0A 87 18,-3.0 18,-2.3 -2,-0.4 2,-0.5 -0.704 27.4-145.6 -78.7 139.1 -35.1 41.8 23.3 58 58 A L E +D 74 0A 33 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.953 19.8 176.7-116.2 126.0 -34.6 37.9 23.4 59 59 A Y E +D 73 0A 55 14,-3.0 14,-2.7 -2,-0.5 2,-0.3 -0.917 9.3 175.0-121.5 146.9 -37.5 35.4 23.7 60 60 A A E -D 72 0A 48 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.987 23.0-154.8-147.6 166.9 -37.2 31.6 23.6 61 61 A C E -D 71 0A 22 10,-2.5 10,-2.1 -2,-0.3 2,-0.3 -0.990 21.3-150.3-142.4 129.2 -39.0 28.3 24.0 62 62 A D - 0 0 67 -2,-0.4 33,-0.5 8,-0.2 2,-0.2 -0.722 14.9-116.8-107.8 154.8 -37.3 25.1 25.0 63 63 A A - 0 0 2 31,-0.4 31,-0.2 3,-0.4 -20,-0.1 -0.524 31.7-115.5 -74.6 148.2 -37.8 21.5 24.3 64 64 A E S S+ 0 0 115 29,-1.6 30,-0.1 1,-0.3 -1,-0.1 0.905 122.6 33.9 -45.5 -52.7 -38.6 19.3 27.3 65 65 A L S > S- 0 0 92 28,-0.4 3,-2.4 1,-0.1 -1,-0.3 -0.970 98.2-146.7-101.7 108.4 -35.3 17.6 26.6 66 66 A P G > S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 -3,-0.4 0.725 89.2 60.7 -58.7 -31.6 -33.5 20.6 25.4 67 67 A E G 3 S+ 0 0 110 1,-0.3 -26,-0.1 -27,-0.1 -3,-0.0 0.606 93.1 68.9 -70.5 -10.1 -31.3 19.0 22.8 68 68 A Q G < S- 0 0 84 -3,-2.4 -1,-0.3 -28,-0.0 2,-0.2 0.450 119.7 -41.6 -91.0 -0.7 -34.3 17.8 20.9 69 69 A G < + 0 0 0 -3,-1.4 -29,-2.3 -4,-0.1 -28,-0.2 -0.758 56.8 166.7 179.2-137.2 -35.3 21.3 19.8 70 70 A G - 0 0 0 24,-1.5 -31,-1.7 25,-0.3 -32,-1.6 0.326 15.0-158.5 96.9 138.0 -35.7 24.9 21.0 71 71 A V E -CD 37 61A 0 -10,-2.1 -10,-2.5 -34,-0.2 2,-0.3 -0.945 5.2-167.1-139.9 165.1 -36.2 28.1 19.1 72 72 A A E -CD 36 60A 0 -36,-2.1 -36,-3.2 -2,-0.3 2,-0.4 -0.976 7.3-156.6-154.6 157.8 -35.6 31.8 19.8 73 73 A L E -CD 35 59A 1 -14,-2.7 -14,-3.0 -2,-0.3 2,-0.4 -0.990 2.6-162.9-144.7 124.6 -36.5 35.2 18.5 74 74 A Y E -CD 34 58A 0 -40,-2.7 -40,-2.6 -2,-0.4 2,-0.4 -0.912 14.5-179.3-108.5 138.4 -34.7 38.6 19.0 75 75 A S E -CD 33 57A 0 -18,-2.3 -18,-3.0 -2,-0.4 -42,-0.2 -1.000 30.9-149.8-138.7 141.3 -36.5 41.7 18.2 76 76 A R S S+ 0 0 90 -44,-2.0 2,-0.3 -2,-0.4 -1,-0.1 0.885 92.5 57.6 -75.7 -39.1 -35.5 45.5 18.3 77 77 A L S S- 0 0 61 -45,-0.4 -20,-0.2 -3,-0.1 184,-0.0 -0.671 96.4-116.3 -87.1 145.9 -39.0 46.4 19.2 78 78 A Q - 0 0 121 -2,-0.3 -2,-0.1 -22,-0.1 -1,-0.0 -0.676 40.7-125.6 -78.6 114.5 -40.7 44.9 22.2 79 79 A P - 0 0 12 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.249 8.1-121.1 -65.2 162.3 -43.5 42.9 20.8 80 80 A K S S- 0 0 123 21,-2.3 2,-0.3 1,-0.2 22,-0.1 0.847 92.0 -12.7 -61.0 -40.2 -47.1 43.3 21.9 81 81 A A E -F 101 0B 41 20,-0.8 20,-2.7 2,-0.0 2,-0.4 -0.968 59.9-148.2-158.1 156.1 -47.2 39.7 22.9 82 82 A V E -F 100 0B 50 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.998 18.0-177.2-132.2 131.4 -45.2 36.5 22.5 83 83 A I E -F 99 0B 77 16,-2.4 16,-3.1 -2,-0.4 2,-0.4 -0.955 8.7-153.9-126.3 149.1 -46.7 33.1 22.4 84 84 A S E +F 98 0B 74 -2,-0.4 14,-0.2 14,-0.2 8,-0.1 -0.903 50.2 24.8-121.8 154.5 -45.2 29.7 22.2 85 85 A G - 0 0 16 12,-2.4 14,-0.1 -2,-0.4 4,-0.1 0.136 59.8-122.6 85.8 166.8 -46.4 26.4 20.9 86 86 A L - 0 0 25 2,-0.4 -1,-0.1 12,-0.0 3,-0.1 0.375 51.7 -99.7-124.8 -5.1 -48.9 25.5 18.3 87 87 A G S S+ 0 0 67 1,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.710 92.7 93.1 91.9 17.9 -51.4 23.3 20.3 88 88 A F S >> S- 0 0 25 1,-0.1 4,-2.8 44,-0.0 3,-1.3 -0.989 77.3-120.0-141.2 153.8 -50.0 19.9 19.1 89 89 A E H 3> S+ 0 0 117 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.808 104.4 60.5 -70.2 -34.3 -47.4 17.6 20.6 90 90 A T H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 38,-0.1 0.719 120.3 31.8 -71.9 -11.5 -44.8 17.4 18.0 91 91 A A H X4>S+ 0 0 1 -3,-1.3 5,-1.8 2,-0.1 3,-1.3 0.829 119.2 48.6 -93.1 -51.0 -44.4 21.2 18.4 92 92 A D H 3<5S+ 0 0 63 -4,-2.8 3,-0.4 1,-0.3 -3,-0.2 0.761 110.7 47.8 -74.2 -25.8 -45.2 21.8 22.0 93 93 A R T 3<5S+ 0 0 108 -4,-2.0 -29,-1.6 -5,-0.2 -28,-0.4 0.504 116.3 45.9 -90.1 -1.3 -43.0 19.2 23.6 94 94 A Y T < 5S- 0 0 45 -3,-1.3 -24,-1.5 -31,-0.2 -31,-0.4 0.294 103.4-120.3-126.5 7.4 -40.0 20.2 21.5 95 95 A G T 5 + 0 0 1 -33,-0.5 -25,-0.3 -3,-0.4 -57,-0.2 0.888 62.5 146.0 45.4 52.7 -40.0 24.0 21.7 96 96 A R < + 0 0 13 -5,-1.8 15,-2.8 1,-0.2 2,-0.3 0.400 52.5 52.2 -99.4 3.1 -40.4 24.1 17.9 97 97 A Y E + G 0 110B 1 -6,-0.3 -12,-2.4 13,-0.2 2,-0.3 -0.948 48.3 158.1-149.2 133.9 -42.5 27.2 17.7 98 98 A L E -FG 84 109B 4 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.994 15.7-164.6-150.0 138.4 -42.5 30.8 19.0 99 99 A Q E -FG 83 108B 8 -16,-3.1 -16,-2.4 -2,-0.3 2,-0.4 -0.978 9.1-158.8-130.7 138.3 -44.3 33.9 17.8 100 100 A A E -FG 82 107B 0 7,-2.9 7,-2.6 -2,-0.4 2,-0.5 -0.948 19.0-143.3-111.4 130.6 -44.0 37.6 18.3 101 101 A D E +FG 81 106B 28 -20,-2.7 -21,-2.3 -2,-0.4 -20,-0.8 -0.853 24.9 167.3-101.9 128.4 -47.0 39.8 17.6 102 102 A F - 0 0 0 3,-2.6 2,-0.4 -2,-0.5 160,-0.2 -0.509 53.5 -55.6-120.4-176.8 -46.6 43.3 16.1 103 103 A D S S- 0 0 61 158,-2.7 158,-0.3 1,-0.2 -1,-0.1 -0.592 119.8 -19.3 -69.3 120.1 -49.1 45.7 14.5 104 104 A K S S+ 0 0 132 -2,-0.4 41,-2.8 156,-0.1 2,-0.4 0.257 131.8 64.7 74.6 -18.6 -50.9 43.8 11.7 105 105 A V E - h 0 145B 0 39,-0.2 -3,-2.6 -3,-0.2 2,-0.4 -1.000 59.8-158.7-139.8 139.5 -48.1 41.1 11.4 106 106 A S E -Gh 101 146B 0 39,-2.2 41,-2.3 -2,-0.4 2,-0.4 -0.951 12.0-153.6-109.7 144.3 -46.7 38.4 13.6 107 107 A I E -Gh 100 147B 0 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.3 -0.963 18.5-176.0-121.8 129.3 -43.3 36.9 13.0 108 108 A A E -Gh 99 148B 0 39,-2.9 41,-3.3 -2,-0.4 2,-0.4 -0.901 25.1-138.8-126.9 160.2 -42.5 33.4 14.1 109 109 A T E -Gh 98 149B 0 -11,-2.7 -11,-2.0 -2,-0.3 2,-0.4 -0.970 28.0-176.4-117.3 136.6 -39.7 30.9 14.3 110 110 A L E -Gh 97 150B 2 39,-2.6 41,-3.0 -2,-0.4 2,-0.5 -0.990 10.1-168.6-144.2 133.2 -40.5 27.3 13.4 111 111 A L E - h 0 151B 7 -15,-2.8 41,-0.2 -2,-0.4 -41,-0.1 -0.951 2.4-165.3-129.5 130.1 -38.6 24.2 13.5 112 112 A L - 0 0 2 39,-2.2 13,-0.1 -2,-0.5 2,-0.1 -0.812 32.7-102.7 -97.8 153.7 -39.4 20.8 12.0 113 113 A P - 0 0 12 0, 0.0 -44,-0.0 0, 0.0 -1,-0.0 -0.429 27.8-135.3 -63.0 147.2 -37.8 17.4 12.7 114 114 A S - 0 0 28 -2,-0.1 8,-0.1 1,-0.0 38,-0.0 0.791 18.2-144.1 -78.6 -30.6 -35.5 16.5 9.8 115 115 A G + 0 0 2 6,-0.1 3,-0.3 2,-0.1 7,-0.2 0.715 60.3 126.4 73.5 22.9 -36.7 12.9 9.6 116 116 A Q + 0 0 83 1,-0.2 3,-0.1 5,-0.1 -1,-0.1 0.439 51.0 65.9 -94.2 0.2 -33.1 11.8 8.8 117 117 A S S S- 0 0 107 1,-0.4 4,-0.2 2,-0.0 3,-0.2 -0.255 109.7 -61.7-123.2 46.2 -32.5 9.1 11.4 118 118 A G > - 0 0 42 -3,-0.3 4,-1.6 1,-0.2 -1,-0.4 -0.284 70.0 -53.2 107.3 173.2 -34.9 6.3 10.5 119 119 A D H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.744 125.5 56.6 -59.7 -31.9 -38.5 5.5 10.1 120 120 A E H > S+ 0 0 136 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 108.8 46.6 -67.3 -46.0 -39.5 6.6 13.6 121 121 A S H > S+ 0 0 23 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.869 112.2 51.2 -62.3 -32.9 -38.1 10.1 13.1 122 122 A L H X S+ 0 0 30 -4,-1.6 4,-3.2 -7,-0.2 5,-0.2 0.896 107.3 53.8 -75.2 -40.6 -39.8 10.4 9.6 123 123 A N H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.887 109.7 47.8 -50.5 -46.2 -43.2 9.4 11.2 124 124 A Q H X S+ 0 0 38 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.913 111.7 50.1 -65.0 -44.7 -42.7 12.2 13.6 125 125 A K H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.956 111.1 48.8 -62.2 -45.1 -41.8 14.6 10.8 126 126 A F H X S+ 0 0 56 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.856 110.7 50.9 -61.0 -36.9 -45.0 13.6 8.7 127 127 A K H X S+ 0 0 110 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.906 109.7 48.9 -68.6 -40.7 -47.2 14.0 11.7 128 128 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 111.8 51.3 -58.5 -48.6 -45.8 17.5 12.4 129 129 A M H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 111.8 45.6 -57.0 -51.6 -46.4 18.3 8.7 130 130 A D H X S+ 0 0 103 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.904 114.0 47.9 -62.5 -42.8 -50.0 17.1 8.8 131 131 A D H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.874 111.7 51.0 -63.0 -35.0 -50.7 18.9 12.0 132 132 A F H X S+ 0 0 9 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.918 106.1 54.4 -71.7 -35.0 -49.1 22.1 10.7 133 133 A T H X S+ 0 0 29 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 108.7 50.0 -58.1 -49.4 -51.2 21.9 7.5 134 134 A H H X S+ 0 0 110 -4,-2.0 4,-1.9 2,-0.2 5,-0.3 0.953 110.7 49.0 -55.2 -48.1 -54.3 21.8 9.7 135 135 A Y H X S+ 0 0 24 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.938 112.6 47.4 -56.3 -48.5 -53.1 24.8 11.7 136 136 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.894 104.9 59.7 -66.5 -35.3 -52.5 26.8 8.6 137 137 A S H < S+ 0 0 47 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.907 115.6 35.8 -62.0 -39.2 -55.9 25.8 7.0 138 138 A K H >< S+ 0 0 116 -4,-1.9 3,-1.6 -5,-0.2 4,-0.2 0.899 115.2 54.3 -70.3 -44.3 -57.5 27.5 10.1 139 139 A Q H >< S+ 0 0 22 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.803 91.5 71.6 -68.6 -28.4 -55.1 30.4 10.5 140 140 A R T 3< S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.747 89.4 65.3 -61.2 -18.1 -55.4 31.6 6.9 141 141 A R T < S+ 0 0 206 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.560 82.9 95.9 -79.3 -11.3 -58.9 32.9 7.9 142 142 A K S < S- 0 0 105 -3,-2.0 -3,-0.0 -4,-0.2 0, 0.0 -0.541 76.0-132.5 -75.5 155.8 -57.4 35.4 10.4 143 143 A R S S+ 0 0 241 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.819 76.2 90.4 -82.9 -22.5 -56.9 38.9 9.2 144 144 A R S S- 0 0 61 1,-0.1 -39,-0.2 -39,-0.1 2,-0.2 -0.350 76.8-118.2 -75.9 155.7 -53.4 39.5 10.5 145 145 A E E -h 105 0B 44 -41,-2.8 -39,-2.2 85,-0.1 2,-0.4 -0.491 26.7-157.7 -86.1 152.0 -50.3 38.7 8.4 146 146 A Y E -h 106 0B 7 -41,-0.2 82,-2.2 -2,-0.2 2,-0.5 -0.998 14.3-163.9-135.5 136.0 -47.7 36.1 9.4 147 147 A I E -hI 107 227B 0 -41,-2.3 -39,-2.9 -2,-0.4 2,-0.8 -0.985 14.3-162.6-117.1 106.7 -44.1 35.5 8.5 148 148 A Y E -hI 108 226B 0 78,-2.9 78,-3.0 -2,-0.5 2,-1.1 -0.880 6.5-156.3 -94.9 108.4 -43.1 32.0 9.5 149 149 A C E -hI 109 225B 0 -41,-3.3 -39,-2.6 -2,-0.8 2,-0.5 -0.727 31.5-175.8 -82.5 99.5 -39.3 31.7 9.6 150 150 A G E -hI 110 224B 0 74,-2.6 74,-2.6 -2,-1.1 2,-0.9 -0.868 39.5-163.8-122.4 132.2 -39.2 28.1 9.1 151 151 A S E +hI 111 223B 0 -41,-3.0 -39,-2.2 -2,-0.5 72,-0.2 -0.871 29.7 166.9-107.1 96.1 -36.6 25.4 9.0 152 152 A L - 0 0 4 70,-2.4 71,-0.1 -2,-0.9 -1,-0.1 0.594 38.6-136.8 -97.1 -16.5 -38.6 22.8 7.3 153 153 A Y S S+ 0 0 13 69,-0.7 2,-0.4 1,-0.2 69,-0.1 0.796 73.1 105.8 58.1 30.0 -36.2 20.1 6.2 154 154 A V - 0 0 0 68,-0.4 2,-0.4 19,-0.1 -2,-0.2 -0.997 57.7-154.4-142.8 133.8 -38.1 19.9 2.9 155 155 A A - 0 0 0 17,-3.0 67,-0.1 -2,-0.4 26,-0.1 -0.887 11.6-155.7-108.3 135.8 -37.0 21.3 -0.5 156 156 A H + 0 0 21 -2,-0.4 2,-0.2 65,-0.3 -1,-0.1 0.924 60.8 17.8 -83.1 -53.5 -40.0 22.1 -2.8 157 157 A Q S > S- 0 0 96 1,-0.0 3,-1.5 0, 0.0 4,-0.1 -0.672 83.5 -94.6-122.8 171.1 -39.0 22.0 -6.4 158 158 A K G > S+ 0 0 116 1,-0.3 3,-1.6 -2,-0.2 6,-0.2 0.903 122.2 57.0 -58.3 -39.3 -36.1 20.5 -8.6 159 159 A M G 3 S+ 0 0 62 1,-0.3 43,-0.5 42,-0.1 44,-0.5 0.634 94.0 67.9 -69.4 -13.2 -34.2 23.8 -8.4 160 160 A D G < S+ 0 0 0 -3,-1.5 61,-2.9 41,-0.1 2,-0.3 0.371 103.3 47.4 -86.3 2.8 -34.2 23.8 -4.6 161 161 A V B < S-K 220 0C 8 -3,-1.6 2,-0.6 59,-0.2 3,-0.4 -0.973 80.0-122.4-141.5 155.9 -31.8 20.7 -4.6 162 162 A K S S+ 0 0 51 57,-1.6 5,-0.1 -2,-0.3 -3,-0.1 -0.906 98.8 8.6-100.6 124.8 -28.6 19.7 -6.3 163 163 A N S >> S- 0 0 68 -2,-0.6 4,-1.9 3,-0.1 3,-1.0 0.978 71.7-171.3 65.2 69.0 -29.1 16.4 -8.2 164 164 A W H 3> S+ 0 0 75 -3,-0.4 4,-1.4 1,-0.3 -2,-0.1 0.789 76.4 65.9 -60.2 -32.5 -32.8 16.1 -7.8 165 165 A R H 34 S+ 0 0 181 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.880 109.6 36.3 -63.0 -36.7 -32.8 12.5 -9.3 166 166 A E H X4 S+ 0 0 118 -3,-1.0 3,-1.1 1,-0.2 -1,-0.2 0.846 112.4 59.7 -82.5 -30.8 -30.8 11.1 -6.4 167 167 A C H >< S+ 0 0 4 -4,-1.9 3,-2.5 1,-0.2 6,-0.3 0.781 84.8 80.4 -63.6 -24.7 -32.5 13.3 -3.8 168 168 A Q T 3< S+ 0 0 55 -4,-1.4 7,-0.4 1,-0.3 -1,-0.2 0.642 92.7 48.8 -63.4 -17.0 -36.0 12.0 -4.5 169 169 A Q T < S+ 0 0 151 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.1 0.431 101.3 79.0-100.9 -3.4 -35.4 8.9 -2.4 170 170 A M S X S- 0 0 80 -3,-2.5 3,-2.0 -4,-0.1 4,-0.2 -0.859 93.3 -94.0-112.0 142.6 -34.1 10.8 0.7 171 171 A P T 3 S+ 0 0 39 0, 0.0 -2,-0.1 0, 0.0 -17,-0.1 -0.288 113.4 50.7 -49.1 127.6 -36.0 12.7 3.4 172 172 A G T 3 S+ 0 0 0 -4,-0.1 -17,-3.0 -17,-0.1 -4,-0.1 0.055 118.3 35.2 121.8 -25.3 -36.0 16.3 2.3 173 173 A F S < S+ 0 0 2 -3,-2.0 2,-0.1 -6,-0.3 -19,-0.1 0.051 77.6 140.6-149.7 30.2 -37.3 15.6 -1.3 174 174 A L >> - 0 0 31 -4,-0.2 4,-2.7 1,-0.1 3,-0.6 -0.429 62.9-113.0 -74.6 154.5 -39.7 12.7 -0.9 175 175 A A H 3> S+ 0 0 52 -7,-0.4 4,-2.4 1,-0.3 5,-0.2 0.875 117.3 48.0 -59.8 -45.7 -42.8 13.0 -3.0 176 176 A P H 3> S+ 0 0 77 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.807 111.6 53.3 -66.9 -22.8 -45.2 13.4 -0.0 177 177 A E H <> S+ 0 0 0 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.900 110.8 44.5 -74.9 -45.2 -42.9 16.1 1.4 178 178 A R H X S+ 0 0 59 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 111.6 55.0 -61.9 -39.7 -42.9 18.1 -1.9 179 179 A A H X S+ 0 0 50 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.823 102.7 56.1 -59.8 -38.5 -46.7 17.5 -2.0 180 180 A W H X S+ 0 0 14 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.938 110.8 43.7 -59.9 -45.3 -47.0 19.1 1.5 181 181 A L H X S+ 0 0 1 -4,-1.6 4,-3.2 2,-0.2 5,-0.4 0.882 107.4 59.0 -72.9 -33.8 -45.3 22.3 0.3 182 182 A D H X S+ 0 0 86 -4,-2.5 4,-1.2 1,-0.2 5,-0.4 0.919 109.3 46.1 -56.9 -40.1 -47.3 22.3 -2.9 183 183 A E H <>S+ 0 0 68 -4,-1.9 5,-2.8 3,-0.2 6,-0.4 0.911 113.0 48.6 -65.3 -45.6 -50.4 22.4 -0.6 184 184 A V H <5S+ 0 0 5 -4,-2.4 6,-2.1 1,-0.2 -2,-0.2 0.923 123.2 31.4 -59.0 -51.9 -48.9 25.2 1.5 185 185 A F H <5S+ 0 0 37 -4,-3.2 -1,-0.2 4,-0.2 -2,-0.2 0.558 130.7 35.8 -86.5 -11.5 -47.8 27.4 -1.4 186 186 A G T ><5S+ 0 0 46 -4,-1.2 3,-1.3 -5,-0.4 -3,-0.2 0.653 126.2 15.1-106.1 -98.9 -50.7 26.3 -3.7 187 187 A N T 3 5S+ 0 0 123 -5,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.892 128.7 50.4 -52.7 -41.2 -54.2 25.6 -2.4 188 188 A L T 3 -J 226 0B 10 -2,-0.3 4,-1.3 34,-0.2 3,-0.3 -0.909 21.9-149.6 -95.6 105.8 -42.3 31.5 -0.4 193 193 A A H >> S+ 0 0 0 32,-2.5 3,-1.1 -2,-0.8 4,-0.5 0.888 93.4 48.2 -50.2 -49.2 -40.5 34.8 0.3 194 194 A L H >> S+ 0 0 3 1,-0.3 4,-2.0 31,-0.2 3,-1.7 0.919 109.7 54.3 -62.6 -41.3 -37.3 34.0 -1.7 195 195 A R H 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.686 95.1 67.5 -70.0 -11.3 -39.4 32.9 -4.7 196 196 A E H << S+ 0 0 59 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.701 117.5 23.8 -78.0 -14.8 -41.3 36.1 -4.8 197 197 A V H << S+ 0 0 57 -3,-1.7 2,-0.4 -4,-0.5 -2,-0.2 0.573 124.6 40.4-126.0 -5.9 -38.0 37.8 -5.8 198 198 A S < + 0 0 20 -4,-2.0 -1,-0.3 -5,-0.2 39,-0.0 -0.955 36.0 176.8-149.0 130.0 -35.9 35.2 -7.4 199 199 A R + 0 0 228 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.110 52.8 120.3-107.4 18.9 -36.5 32.3 -9.8 200 200 A E - 0 0 144 1,-0.1 3,-0.2 2,-0.0 -2,-0.0 -0.670 53.8-137.4 -87.8 147.6 -32.8 31.4 -10.0 201 201 A G S S+ 0 0 30 -2,-0.3 -41,-0.1 1,-0.2 -1,-0.1 0.075 75.3 64.4 -76.8-165.3 -31.4 28.1 -9.0 202 202 A D + 0 0 108 -43,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.726 67.4 126.7 53.8 26.9 -28.3 27.2 -7.0 203 203 A Q + 0 0 39 -44,-0.5 2,-0.2 -3,-0.2 -1,-0.2 -0.956 33.9 163.4-113.7 100.6 -29.7 28.9 -3.9 204 204 A F - 0 0 6 -2,-0.6 17,-0.3 36,-0.3 3,-0.1 -0.679 31.2-167.9-115.3 167.1 -29.4 26.4 -1.0 205 205 A S + 0 0 0 15,-2.7 45,-2.2 1,-0.3 2,-0.3 0.406 70.0 46.9-135.0 -6.6 -29.6 26.6 2.8 206 206 A W B +LM 220 249C 17 14,-1.7 14,-2.0 43,-0.3 -1,-0.3 -0.975 52.1 179.4-142.8 141.5 -28.4 23.2 4.1 207 207 A W - 0 0 1 41,-1.8 12,-0.1 -2,-0.3 7,-0.1 -0.991 35.8-108.8-137.0 133.3 -25.5 20.8 3.3 208 208 A P - 0 0 42 0, 0.0 2,-1.4 0, 0.0 10,-0.1 -0.192 48.6 -97.0 -53.5 157.4 -24.7 17.4 4.8 209 209 A D S S+ 0 0 131 4,-0.1 2,-0.3 3,-0.0 39,-0.0 -0.634 85.3 101.6 -89.8 83.4 -21.6 17.7 7.0 210 210 A S S > S- 0 0 53 -2,-1.4 4,-1.4 1,-0.0 5,-0.1 -0.965 74.2-121.1-159.5 149.5 -18.8 16.5 4.7 211 211 A E H > S+ 0 0 178 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.734 112.7 57.3 -69.6 -25.1 -16.0 18.3 2.6 212 212 A Q H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 105.4 48.3 -75.3 -45.0 -17.4 16.8 -0.6 213 213 A A H 4>S+ 0 0 2 1,-0.2 5,-2.2 2,-0.2 4,-0.4 0.894 115.3 48.0 -55.2 -38.8 -20.9 18.2 -0.1 214 214 A E H <5S+ 0 0 50 -4,-1.4 3,-0.5 3,-0.2 -2,-0.2 0.906 113.8 43.6 -73.9 -41.9 -19.2 21.6 0.6 215 215 A M H <5S+ 0 0 172 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.952 121.9 38.0 -71.3 -47.5 -16.8 21.6 -2.4 216 216 A L T <5S- 0 0 96 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.361 107.8-122.3 -79.1 0.8 -19.4 20.3 -5.0 217 217 A N T 5 + 0 0 31 -3,-0.5 2,-1.9 -4,-0.4 -3,-0.2 0.949 39.7 176.5 51.1 53.3 -22.4 22.5 -3.4 218 218 A L < + 0 0 36 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.485 28.3 154.4 -85.1 66.4 -24.6 19.4 -2.7 219 219 A G - 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